2-(2-ethoxy-4,5-difluorophenyl)ethanamine

C10H13F2NO — CID 83880849

IUPAC2-(2-ethoxy-4,5-difluorophenyl)ethanamine
SMILESCCOc1cc(F)c(F)cc1CCN
InChIInChI=1S/C10H13F2NO/c1-2-14-10-6-9(12)8(11)5-7(10)3-4-13/h5-6H,2-4,13H2,1H3
InChIKeyGGPDHMGDHVWVNA-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.86
Rot. Bonds4

About 2-(2-ethoxy-4,5-difluorophenyl)ethanamine

2-(2-ethoxy-4,5-difluorophenyl)ethanamine (PubChem CID 83880849) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(2-ethoxy-4,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethoxy-4,5-difluorophenyl)ethanamine
PubChem CID83880849
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(2-ethoxy-4,5-difluorophenyl)ethanamine
SMILESCCOc1cc(F)c(F)cc1CCN
InChIInChI=1S/C10H13F2NO/c1-2-14-10-6-9(12)8(11)5-7(10)3-4-13/h5-6H,2-4,13H2,1H3
InChIKeyGGPDHMGDHVWVNA-UHFFFAOYSA-N
XLogP1.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxy-4,5-difluorophenyl)-N-methylethanamine
CID 83886558
2-(6-ethoxy-2,3-dihydro-1H-inden-5-yl)ethanamine
CID 170888274
2-(2-ethoxy-4,5-difluorophenyl)acetaldehyde
CID 83880628
1,4-diethoxy-2,5-difluorobenzene
CID 58718970
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
1-[(2-ethoxy-4,5-difluorophenyl)methyl]pyrrolidine;methanamine
CID 177027717
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-ethoxy-4,5-difluorophenol
CID 131306358
3-(2-aminoethyl)-4-ethoxybenzoic acid
CID 82052276
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(2-bromo-4-ethoxy-5-methoxyphenyl)ethanamine
CID 170868746
2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
CID 169440593

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4,5-difluorophenyl)ethanamine?
The IUPAC name of 2-(2-ethoxy-4,5-difluorophenyl)ethanamine (CID 83880849) is 2-(2-ethoxy-4,5-difluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-ethoxy-4,5-difluorophenyl)ethanamine?
The canonical SMILES for 2-(2-ethoxy-4,5-difluorophenyl)ethanamine is CCOc1cc(F)c(F)cc1CCN.
What is the InChIKey of 2-(2-ethoxy-4,5-difluorophenyl)ethanamine?
The InChIKey is GGPDHMGDHVWVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-14-10-6-9(12)8(11)5-7(10)3-4-13/h5-6H,2-4,13H2,1H3.
What are the key properties of 2-(2-ethoxy-4,5-difluorophenyl)ethanamine?
2-(2-ethoxy-4,5-difluorophenyl)ethanamine has a molecular weight of 201.22 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4,5-difluorophenyl)ethanamine is sourced from PubChem (CID 83880849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).